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    Benidipine Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    PharmaCompass
    $ API Ref.Price (USD/KG) : 2,132Xls

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    2D Structure
    Also known as: 91599-74-5, Benidipine hcl, Kw-3049, Benidipine (hydrochloride), Rac benidipine hydrochloride, Benidipine hydrochloride [jan]
    Molecular Formula
    C28H32ClN3O6
    Molecular Weight
    542.0  g/mol
    InChI Key
    KILKDKRQBYMKQX-MIPPOABVSA-N
    FDA UNII
    0A6746FWDL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
    2.1.2 InChI
    InChI=1S/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3;1H/t23-,26-;/m1./s1
    2.1.3 InChI Key
    KILKDKRQBYMKQX-MIPPOABVSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
    2.1.5 Isomeric SMILES
    CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    0A6746FWDL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,4 Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid Methyl 1-(phenylmethyl)-3-piperidinyl Ester Hcl

    2. Kw 3049

    3. Kw-3049

    2.3.2 Depositor-Supplied Synonyms

    1. 91599-74-5

    2. Benidipine Hcl

    3. Kw-3049

    4. Benidipine (hydrochloride)

    5. Rac Benidipine Hydrochloride

    6. Benidipine Hydrochloride [jan]

    7. Coniel

    8. 0a6746fwdl

    9. Kw 3049

    10. 129262-07-3

    11. 91599-74-5 (hcl)

    12. 3-((r)-1-benzylpiperidin-3-yl) 5-methyl (r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrochloride

    13. (+-)-benidipine Hydrochloride

    14. 5-o-[(3r)-1-benzylpiperidin-3-yl] 3-o-methyl (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride

    15. Ncgc00185768-01

    16. Unii-0a6746fwdl

    17. Benidipine (+-)-alpha-form Hydrochloride

    18. Coniel R

    19. Benidipine (+-)-alpha-form Hcl

    20. Coniel (tn)

    21. Dsstox_cid_28976

    22. Dsstox_rid_83241

    23. Dsstox_gsid_49050

    24. Mls001401418

    25. Schembl349506

    26. Chembl2359165

    27. Chembl3190257

    28. Dtxsid2049050

    29. Benidipine Hydrochloride (jp17)

    30. Bcpp000347

    31. (r)-3-((r)-1-benzylpiperidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrochloride

    32. Hy-b1448

    33. Tox21_113598

    34. Benidipine Hydrochloride [mi]

    35. Mfcd00906929

    36. S2017

    37. Akos015895638

    38. Bcp9000391

    39. Ccg-100952

    40. Ccg-221233

    41. Cs-5152

    42. Nc00202

    43. Benidipine Hydrochloride [mart.]

    44. ( Inverted Exclamation Marka)-benidipine

    45. Benidipine Hydrochloride [who-dd]

    46. (3r)-1-benzyl-3-piperidinyl Methyl (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate Hydrochloride (1:1)

    47. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, Methyl (3r)-1-(phenylmethyl)-3-piperidinyl Ester, Monohydrochloride, (4r)-rel-

    48. 3,5-pyridinedicarboxylic Acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, Methyl 1-(phenylmethyl)-3-piperidinyl Ester, Monohydrochloride, (r*,r*)-(+-)-

    49. 5-o-[(3r)-1-benzylpiperidin-3-yl] 3-o-methyl (4r)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,hydrochloride

    50. As-14293

    51. Smr000469192

    52. Bcp0726000287

    53. Benidipine Hydrochloride, >=98% (hplc)

    54. Cas-91599-74-5

    55. Sw197582-2

    56. C77131

    57. D02045

    58. 599b745

    59. 6-methyl-2-methylsulfanyl-pyridine-3-carbonitrile

    60. A843993

    61. Q27236529

    62. (+/-)-(r)-3-[(r)-1-benzyl-3-piperidyl] Methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate Hydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 542.0 g/mol
    Molecular Formula C28H32ClN3O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count8
    Exact Mass541.1979634 g/mol
    Monoisotopic Mass541.1979634 g/mol
    Topological Polar Surface Area114 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity933
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2